Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4eada1f025b17d57028439d8bdbc2566",
"space_group_name": "P 65",
"unit_cell": {
"a": 133.78,
"b": 133.78,
"c": 73.09,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.858,2.960],
"number_observations_unique": 15727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [3.12,2.96],
"number_observations": 12795,
"number_observations_unique": 2281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.31,3.12],
"number_observations": 12567,
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.34
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.54,3.31],
"number_observations": 12425,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [3.82,3.54],
"number_observations": 12172,
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.16
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [4.19,3.82],
"number_observations": 11383,
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [4.68,4.19],
"number_observations": 10689,
"number_observations_unique": 1591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [5.40,4.68],
"number_observations": 9475,
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [6.62,5.40],
"number_observations": 8008,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [9.36,6.62],
"number_observations": 6017,
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [116.25,9.36],
"number_observations": 3155,
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Redundancy",
"value": 6.00
}
]
}
]
}